phytocassane D

Base Information

• Chemical Name: phytocassane D
• CAS No.: 166547-24-6
• Molecular Formula: C20H28 O3
• UNII: 53N63V5GQA
• DSSTox Substance ID: DTXSID901103533
• Nikkaji Number: J1.465.386D
• Wikidata: Q27140061
• Mol file: 166547-24-6.mol

Synonyms:phytocassane D;166547-24-6;(-)-Phytocassane D;(2S,4aR,4bR,8S,8aR,10aS)-7-Ethenyl-1,4a,4b,8,8a,9,10,10a-octahydro-2-hydroxy-1,1,4a,8-tetramethyl-3,5(2H,4H)-phenanthrenedione;53N63V5GQA;CHEBI:72669;DTXSID901103533;(2S,4aR,4bR,8S,8aR,10aS)-2-hydroxy-1,1,4a,8-tetramethyl-7-vinyl-1,4a,4b,8,8a,9,10,10a-octahydrophenanthrene-3,5(2H,4H)-dione;(2S,4aR,4bR,8S,8aR,10aS)-7-ethenyl-2-hydroxy-1,1,4a,8-tetramethyl-1,4a,4b,8,8a,9,10,10a-octahydrophenanthrene-3,5(2H,4H)-dione;(2S,4aR,4bR,8S,8aR,10aS)-7-ethenyl-2-hydroxy-1,1,4a,8-tetramethyl-2,4,4b,8,8a,9,10,10a-octahydrophenanthrene-3,5-dione;(3alpha,5beta,8alpha,9beta,10alpha,14beta)-3-hydroxy-14-methyl-13-vinylpodocarp-12-ene-2,11-dione;3,5(2H,4H)-Phenanthrenedione, 7-ethenyl-1,4a,4b,8,8a,9,10,10a-octahydro-2-hydroxy-1,1,4a,8-tetramethyl-, (2S,4aR,4bR,8S,8aR,10aS)-;3alpha-hydroxy-14beta-methyl-13-vinyl-5beta,8alpha,9beta,10alpha-podocarp-12-ene-2,11-dione

Chemical Property of phytocassane D

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 316.20384475
• Heavy Atom Count: 23
• Complexity: 600

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C2CCC3C(C(C(=O)CC3(C2C(=O)C=C1C=C)C)O)(C)C
• Isomeric SMILES: C[C@H]1[C@H]2CC[C@H]3[C@]([C@@H]2C(=O)C=C1C=C)(CC(=O)[C@H](C3(C)C)O)C